tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate

C15H24N4O3 — CID 153326809

IUPACtert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
SMILESCc1noc(N2CC3CCC(C2)C3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H24N4O3/c1-9-16-13(22-18-9)19-7-10-5-6-11(8-19)12(10)17-14(20)21-15(2,3)4/h10-12H,5-8H2,1-4H3,(H,17,20)
InChIKeyUXBOYLITOZGFBV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate

tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (PubChem CID 153326809) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
PubChem CID153326809
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate
SMILESCc1noc(N2CC3CCC(C2)C3NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H24N4O3/c1-9-16-13(22-18-9)19-7-10-5-6-11(8-19)12(10)17-14(20)21-15(2,3)4/h10-12H,5-8H2,1-4H3,(H,17,20)
InChIKeyUXBOYLITOZGFBV-UHFFFAOYSA-N
XLogP2.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate (CID 153326809) is tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate is Cc1noc(N2CC3CCC(C2)C3NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
The InChIKey is UXBOYLITOZGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9-16-13(22-18-9)19-7-10-5-6-11(8-19)12(10)17-14(20)21-15(2,3)4/h10-12H,5-8H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate?
tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]carbamate is sourced from PubChem (CID 153326809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).